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Heterocyclic building blocks

Avermectin A1b

Also known as Avermectin A1a, 25-de(1-methylpropyl)-25-(1-methylethyl)-, Antibiotic C 076A(sub 1b), Antibiotic C 076A1b

CAS 65195-52-0Formula C48H72O14Molar mass 873.09 g/molEC 810-514-4
GHS signal word: Danger. Pictograms: Acute toxicity (severe)
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Avermectin A1b chemical structure, C48H72O14, CAS 65195-52-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
65195-52-0
Formula
C48H72O14
Molar mass
873.09 g/mol
EC number
810-514-4
HS code
293220
Category
Heterocyclic building blocks

What is Avermectin A1b?

Plain description, key identifiers and synonyms

Avermectin A1b is a glycoside.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-24'-hydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-21'-methoxy-3,11',13',22'-tetramethyl-2-propan-2-ylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one
CAS number
65195-52-0
EC number
810-514-4
Molecular formula
C48H72O14
InChIKey
MNRHCELBXZARFX-OVBDMLLUSA-N
InChI
InChI=1S/C48H72O14/c1-25(2)41-28(5)17-18-47(62-41)23-34-20-33(61-47)16-15-27(4)42(59-39-22-37(53-10)44(31(8)57-39)60-38-21-36(52-9)40(49)30(7)56-38)26(3)13-12-14-32-24-55-45-43(54-11)29(6)19-35(46(50)58-34)48(32,45)51/h12-15,17-19,25-26,28,30-31,33-45,49,51H,16,20-24H2,1-11H3/b13-12+,27-15+,32-14+/t26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40-,41+,42-,43+,44-,45+,47+,48+/m0/s1
Canonical SMILES
COC1CC(OC2C(C)OC(OC3C(C)=CCC4CC(CC5(C=CC(C)C(C(C)C)O5)O4)OC(=O)C4C=C(C)C(OC)C5OCC(=CC=CC3C)C45O)CC2OC)OC(C)C1O
Isomeric SMILES
C[C@H]1/C=C/C=C/2\CO[C@H]3[C@@]2([C@@H](C=C([C@H]3OC)C)C(=O)O[C@H]4C[C@@H](C/C=C(/[C@H]1O[C@H]5C[C@@H]([C@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O)OC)OC)\C)O[C@]7(C4)C=C[C@@H]([C@H](O7)C(C)C)C)O

Synonyms

  • Avermectin A1a, 25-de(1-methylpropyl)-25-(1-methylethyl)-
  • Antibiotic C 076A(sub 1b)
  • Antibiotic C 076A1b

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
873.09 g/molcalc.
Exact mass
872.4922 Dacalc.
LogP (octanol/water)
5.64calc.
Topological polar surface area
159.1 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
14calc.
Rotatable bonds
8calc.
Heavy atoms
62calc.
Rings
7calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.77calc.
Formal charge
0calc.
Stereocentres
19calc.
Lipinski rule of five
Fails (3 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1OC2CC(CC=CC(OC3CCC(OC4CCCCO4)CO3)CC=CC=C3COC4CC=CC1C34)OC1(C=CCCO1)C2

O=C1OC2CC(CC=CC(OC3CCC(OC4CCCCO4)CO3)CC=CC=C3COC4CC=CC1C34)OC1(C=CCCO1)C2

7 rings, 45 atoms.

46 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)

Hazard statements

  • H300Fatal if swallowed.
Precautionary statements (7)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Avermectin A1b suppliers

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Avermectin A1b price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Avermectin A1b is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Avermectin A1b is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Avermectin A1b, based on the data on this page

What is Avermectin A1b?

Avermectin A1b is a glycoside.

What is the CAS number of Avermectin A1b?

The CAS registry number of Avermectin A1b is 65195-52-0.

What is the molecular formula and weight of Avermectin A1b?

The molecular formula of Avermectin A1b is C48H72O14 and its molar mass is 873.09 g/mol.

What is Avermectin A1b used for?

Known uses and roles of Avermectin A1b include building blocks in research and laboratory.

Is Avermectin A1b hazardous?

Avermectin A1b carries the GHS signal word "Danger". Main hazards: fatal if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Avermectin A1b?

Avermectin A1b is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Avermectin A1b?

Post a free request on CompoundList and suppliers of Avermectin A1b will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Avermectin A1b?

Suppliers quote Avermectin A1b on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Avermectin A1b

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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